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    BUILDING BLOCK

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    Chemistry

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    Also known as: D-ritalinic acid, 129389-67-9, Ritalinic acid, d-threo-, Threo-ritalinic acid, d-, (+)-threo-ritalinic acid, 2mnc5y0imu
    Molecular Formula
    C13H17NO2
    Molecular Weight
    219.28  g/mol
    InChI Key
    INGSNVSERUZOAK-VXGBXAGGSA-N
    FDA UNII
    GT4165RS9H
    CAS 129389-67-9
    1 2D Structure

    CAS 129389-67-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)/t11-,12-/m1/s1
    2.1.3 InChI Key
    INGSNVSERUZOAK-VXGBXAGGSA-N
    2.1.4 Canonical SMILES
    C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
    2.1.5 Isomeric SMILES
    C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    GT4165RS9H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alpha-phenyl-2-piperidineacetic Acid

    2. Ritalinic Acid

    3. Ritalinic Acid, (r*,r*)-(+-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. D-ritalinic Acid

    2. 129389-67-9

    3. Ritalinic Acid, D-threo-

    4. Threo-ritalinic Acid, D-

    5. (+)-threo-ritalinic Acid

    6. 2mnc5y0imu

    7. Dl-threo-ritalinic Acid

    8. Gt4165rs9h

    9. (2r)-2-phenyl-2-[(2r)-piperidin-2-yl]acetic Acid

    10. 54631-24-2

    11. Unii-2mnc5y0imu

    12. Unii-gt4165rs9h

    13. D-threo Ritalinic Acid

    14. Ethylphenidate Acid

    15. Methylphenidate Acid

    16. Alpha-phenyl-2-piperidineacetic Acid, Threo, (+/-)

    17. 2-piperidineacetic Acid, Alpha-phenyl-, (alphar,2r)-

    18. Schembl6099068

    19. Zinc5934432

    20. (2r)-2-phenyl-2-[(r)-2-piperidinyl]acetic Acid

    21. Methylphenidate Related Compound A [usp Impurity]

    22. .alpha.-phenyl-2-piperidineacetic Acid, Threo-(+/-)-

    23. Methylphenidate Hydrochloride Impurity A [ep Impurity]

    24. 2-piperidineacetic Acid, .alpha.-phenyl-, (.alpha.r,2r)-

    25. 2-piperidineacetic Acid, .alpha.-phenyl-, (.alpha.r,2r)-rel-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 219.28 g/mol
    Molecular Formula C13H17NO2
    XLogP3-2.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass219.125928785 g/mol
    Monoisotopic Mass219.125928785 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity236
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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    END USE APIs

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    01

    Methylphenidate

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    Veranova

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    Veranova: A CDMO that manages complexity with confidence.

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    SCI Pharmtech offers high-quality, cost-effective APIs, advanced intermediates, & custom products with global expertise and precision.

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    Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

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    HRV Pharma - Market Expansion Leader in Pharmaceuticals.

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    Supriya Lifesciences is a cGMP-compliant API manufacturing organization with a leadership position across key & niche products.

    Siegfried AG

    Switzerland

    Siegfried – A global CDMO delivering integrated pharmaceutical development and manufacturing solutions.

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